CID 14300

4-nitropyridine n-oxide

Structural Information

Molecular Formula

C₅H₄N₂O₃

SMILES

C1=C[N+](=CC=C1[N+](=O)[O-])[O-]

InChI

InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

InChIKey

RXKNNAKAVAHBNK-UHFFFAOYSA-N

Compound name

4-nitro-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 842
Patents: 140.02219 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.02947	126.5
[M+Na]+	163.01141	141.8
[M+NH4]+	158.05601	135.1
[M+K]+	178.98535	140.4
[M-H]-	139.01491	130.3
[M+Na-2H]-	160.99686	133.4
[M]+	140.02164	129.6
[M]-	140.02274	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe